Statements (27)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational chemistry software
|
| gptkbp:application |
quantum chemistry
molecular modeling |
| gptkbp:citation |
Stewart, J. J. P. (1989). MOPAC: A semiempirical molecular orbital program. J. Comput. Aided Mol. Des.
|
| gptkbp:developer |
James J. P. Stewart
|
| gptkbp:firstReleased |
1983
|
| gptkbp:hasMethod |
gptkb:PM3
gptkb:AM1 RM1 MNDO PM6 |
| https://www.w3.org/2000/01/rdf-schema#label |
MOPAC
|
| gptkbp:implementsMethod |
semi-empirical quantum chemistry methods
|
| gptkbp:latestReleaseVersion |
MOPAC2016
|
| gptkbp:license |
proprietary
|
| gptkbp:operatingSystem |
gptkb:Windows
gptkb:macOS gptkb:Linux |
| gptkbp:programmingLanguage |
gptkb:Fortran
|
| gptkbp:usedFor |
geometry optimization
transition state search heat of formation calculation molecular orbital analysis vibrational frequency calculation |
| gptkbp:website |
http://openmopac.net/
|
| gptkbp:bfsParent |
gptkb:Mayor's_Office_for_Policing_and_Crime
|
| gptkbp:bfsLayer |
6
|